(1E)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3,4,4-tetramethyl-2H-isoquinoline-7-carboxylic acid

Systemtic Name: (1E)-1-(2-cycloheptyl-2-oxidanylidene-ethylidene)-3,3,4,4-tetramethyl-2H-isoquinoline-7-carboxylic acid Openeye Name: (1E)-1-(2-cycloheptyl-2-oxo-ethylidene)-3,3,4,4-tetramethyl-2H-isoquinoline-7-carboxylic acid CAS Name: (1E)-1-(2-cycloheptyl-2-oxoethylidene)-3,3,4,4-tetramethyl-2H-isoquinoline-7-carboxylic acid IUPAC Name: (1E)-1-(2-cycloheptyl-2-oxoethylidene)-3,3,4,4-tetramethyl-2H-isoquinoline-7-carboxylic acid Traditional Name: (1E)-1-(2-cycloheptyl-2-keto-ethylidene)-3,3,4,4-tetramethyl-2H-isoquinoline-7-carboxylic acid Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)C(=O)O)C(=CC(=O)C3CCCCCC3)NC1(C)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)C(=O)O)/C(=C\C(=O)C3CCCCCC3)/NC1(C)C)C

InChI

InChI=1S/C23H31NO3/c1-22(2)18-12-11-16(21(26)27)13-17(18)19(24-23(22,3)4)14-20(25)15-9-7-5-6-8-10-15/h11-15,24H,5-10H2,1-4H3,(H,26,27)/b19-14+